5-Hexyloxy-2-[4-(7-(2-(2-(nonafluorobutoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)heptyloxy)phenyl]pyrimidine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCCCCOc1cnc(-c2ccc(OCCCCCCCOCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1- InChIKey
NAOWOEGIVXGOSS-UHFFFAOYSA-N- Molecular formula
- C31H35F15N2O5
- Average molar mass
- 800.6 g/mol
Names & identifiers
- Preferred name
- 5-Hexyloxy-2-[4-(7-(2-(2-(nonafluorobutoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)heptyloxy)phenyl]pyrimidine
- IUPAC
- 2-[4-[7-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]heptoxy]phenyl]-5-hexoxypyrimidine
Names & synonyms
5-Hexyloxy-2-[4-(7-(2-(2-(nonafluorobutoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)heptyloxy)phenyl]pyrimidineSCHEMBL70890345-Hexyloxy-2- [4-(7-(2-(2-(nonafluorobutoxy) tetrafluoroethoxy)-2,2-difluoroethoxy)heptyloxy)phenyl]pyrimidine
Database identifiers
- PubChem CID
- 21225331
Properties
Computed structural propertiesFilling in
- XLogP
- 11.2
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 25
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,040
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…